6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one

C18H13Cl3N2O3 — CID 135811958

IUPAC6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCOc1cc(/C=C(\Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc(Cl)c1OC
InChIInChI=1S/C18H13Cl3N2O3/c1-25-15-7-9(5-12(20)16(15)26-2)6-13(21)17-22-14-4-3-10(19)8-11(14)18(24)23-17/h3-8H,1-2H3,(H,22,23,24)/b13-6-
InChIKeyCWDPVJSXBBJODQ-MLPAPPSSSA-N
MW411.67 g/mol
LogP4.98
Rot. Bonds4

About 6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one

6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135811958) has the molecular formula C18H13Cl3N2O3 and a molecular weight of 411.67 g/mol. Its IUPAC name is 6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135811958
Molecular FormulaC18H13Cl3N2O3
Molecular Weight411.67 g/mol
Exact Mass410.00
IUPAC Name6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCOc1cc(/C=C(\Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc(Cl)c1OC
InChIInChI=1S/C18H13Cl3N2O3/c1-25-15-7-9(5-12(20)16(15)26-2)6-13(21)17-22-14-4-3-10(19)8-11(14)18(24)23-17/h3-8H,1-2H3,(H,22,23,24)/b13-6-
InChIKeyCWDPVJSXBBJODQ-MLPAPPSSSA-N
XLogP4.98
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.67
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811879
2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135854648
6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
CID 135817921
6-chloro-2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811921
methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate
CID 135811902
6-chloro-2-(3,4,5-trimethoxybenzoyl)-3H-quinazolin-4-one
CID 164610190
(E)-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 135782646
7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847774
7-chloro-2-[(Z)-1-chloro-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135809699
4-[(Z)-2-chloro-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]-2-methoxy-6-nitrophenolate
CID 135809717
6-chloro-2-[(Z)-1-chloro-2-[4-(diethylamino)phenyl]ethenyl]-3H-quinazolin-4-one
CID 135817927
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135549186

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one (CID 135811958) is 6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one is COc1cc(/C=C(\Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc(Cl)c1OC.
What is the InChIKey of 6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is CWDPVJSXBBJODQ-MLPAPPSSSA-N. The full InChI is InChI=1S/C18H13Cl3N2O3/c1-25-15-7-9(5-12(20)16(15)26-2)6-13(21)17-22-14-4-3-10(19)8-11(14)18(24)23-17/h3-8H,1-2H3,(H,22,23,24)/b13-6-.
What are the key properties of 6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one?
6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 411.67 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135811958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).